3-methyl-5-methylidene-2-phenyl-1,3-thiazolidine-4-carboxylic acid

C12H13NO2S — CID 66595812

IUPAC3-methyl-5-methylidene-2-phenyl-1,3-thiazolidine-4-carboxylic acid
SMILESC=C1SC(c2ccccc2)N(C)C1C(=O)O
InChIInChI=1S/C12H13NO2S/c1-8-10(12(14)15)13(2)11(16-8)9-6-4-3-5-7-9/h3-7,10-11H,1H2,2H3,(H,14,15)
InChIKeyHDZYSXZNWVSNGN-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.33
Rot. Bonds2

About 3-methyl-5-methylidene-2-phenyl-1,3-thiazolidine-4-carboxylic acid

3-methyl-5-methylidene-2-phenyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 66595812) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-methyl-5-methylidene-2-phenyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-methylidene-2-phenyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID66595812
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name3-methyl-5-methylidene-2-phenyl-1,3-thiazolidine-4-carboxylic acid
SMILESC=C1SC(c2ccccc2)N(C)C1C(=O)O
InChIInChI=1S/C12H13NO2S/c1-8-10(12(14)15)13(2)11(16-8)9-6-4-3-5-7-9/h3-7,10-11H,1H2,2H3,(H,14,15)
InChIKeyHDZYSXZNWVSNGN-UHFFFAOYSA-N
XLogP2.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(NZ)-N-(3,5-dimethyl-4,6-diphenyl-1,3,5-thiadiazinan-2-ylidene)piperidine-1-carboxamide
CID 13485430
ethyl 2-phenyl-2H-1,3-benzothiazole-3-carboxylate
CID 46894218
3-acetyl-5,5-dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 3850217
(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 759136
1-methyl-2-phenylpyrrolidine-3-carboxylic acid
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3-methyl-2-phenyl-2H-1,3,4-thiadiazole-5-thiolate
CID 20734793
1-methyl-2-phenylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122360453
N-[(2S)-3-acetyl-2-phenyl-2H-1,3,4-thiadiazol-5-yl]acetamide
CID 684427
[(2R,3R)-1-methyl-3-phenylaziridin-2-yl]-phenylmethanone
CID 6565595
[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]-phenylmethanone
CID 6348954
(2S,3R)-1-methyl-2-phenylpiperidine-3-carboxylic acid
CID 67820250
2-phenoxy-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
CID 122329128

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylidene-2-phenyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-methyl-5-methylidene-2-phenyl-1,3-thiazolidine-4-carboxylic acid (CID 66595812) is 3-methyl-5-methylidene-2-phenyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-methylidene-2-phenyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-methylidene-2-phenyl-1,3-thiazolidine-4-carboxylic acid is C=C1SC(c2ccccc2)N(C)C1C(=O)O.
What is the InChIKey of 3-methyl-5-methylidene-2-phenyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HDZYSXZNWVSNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-8-10(12(14)15)13(2)11(16-8)9-6-4-3-5-7-9/h3-7,10-11H,1H2,2H3,(H,14,15).
What are the key properties of 3-methyl-5-methylidene-2-phenyl-1,3-thiazolidine-4-carboxylic acid?
3-methyl-5-methylidene-2-phenyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 235.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylidene-2-phenyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 66595812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).